COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.268  -0.356  -3.158  1.00  0.00           C  
HETATM    2  C   UNL     1       5.075  -0.931  -2.392  1.00  0.00           C  
HETATM    3  C   UNL     1       5.441  -1.077  -0.912  1.00  0.00           C  
HETATM    4  C   UNL     1       4.343  -1.834  -0.171  1.00  0.00           C  
HETATM    5  C   UNL     1       4.154  -3.245  -0.731  1.00  0.00           C  
HETATM    6  C   UNL     1       2.997  -3.892  -0.002  1.00  0.00           C  
HETATM    7  C   UNL     1       1.768  -3.551  -0.302  1.00  0.00           C  
HETATM    8  C   UNL     1       0.620  -4.072   0.528  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.516  -4.302  -0.305  1.00  0.00           O  
HETATM   10  C   UNL     1       0.293  -3.049   1.610  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.784  -3.495   2.604  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.484  -2.140   2.398  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.636  -1.916   1.141  1.00  0.00           C  
HETATM   14  C   UNL     1       0.096  -0.584   1.081  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.848   0.580   1.340  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.828   0.422   0.177  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.062   1.263   0.513  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.304   1.281   2.019  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.028   0.005   2.452  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.441   0.031   1.871  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.353   0.183   0.374  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.424  -0.273  -0.380  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.403  -0.167  -1.755  1.00  0.00           C  
HETATM   24 CL   UNL     1      -7.747  -0.739  -2.694  1.00  0.00          Cl  
HETATM   25  C   UNL     1      -5.306   0.398  -2.379  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.240   0.853  -1.629  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.256   0.748  -0.242  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.778   2.710   0.068  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.822   3.252   0.985  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.518   2.960   0.748  1.00  0.00           C  
HETATM   31  C   UNL     1       0.311   3.998   0.317  1.00  0.00           C  
HETATM   32  C   UNL     1       1.648   3.762   0.078  1.00  0.00           C  
HETATM   33  C   UNL     1       2.171   2.485   0.276  1.00  0.00           C  
HETATM   34  C   UNL     1       1.342   1.446   0.708  1.00  0.00           C  
HETATM   35  C   UNL     1       0.007   1.691   0.919  1.00  0.00           C  
HETATM   36  C   UNL     1       3.608   2.214   0.021  1.00  0.00           C  
HETATM   37  O   UNL     1       4.339   3.090  -0.409  1.00  0.00           O  
HETATM   38  N   UNL     1       4.063   0.950   0.299  1.00  0.00           N  
HETATM   39  S   UNL     1       5.617   0.582  -0.186  1.00  0.00           S  
HETATM   40  O   UNL     1       6.363   0.519   1.021  1.00  0.00           O  
HETATM   41  O   UNL     1       5.923   1.532  -1.196  1.00  0.00           O  
HETATM   42  H   UNL     1       6.058  -0.377  -4.227  1.00  0.00           H  
HETATM   43  H   UNL     1       6.442   0.673  -2.842  1.00  0.00           H  
HETATM   44  H   UNL     1       7.155  -0.955  -2.951  1.00  0.00           H  
HETATM   45  H   UNL     1       4.223  -0.259  -2.490  1.00  0.00           H  
HETATM   46  H   UNL     1       4.817  -1.907  -2.801  1.00  0.00           H  
HETATM   47  H   UNL     1       6.386  -1.610  -0.824  1.00  0.00           H  
HETATM   48  H   UNL     1       4.608  -1.901   0.888  1.00  0.00           H  
HETATM   49  H   UNL     1       3.403  -1.286  -0.261  1.00  0.00           H  
HETATM   50  H   UNL     1       3.920  -3.210  -1.791  1.00  0.00           H  
HETATM   51  H   UNL     1       5.055  -3.833  -0.567  1.00  0.00           H  
HETATM   52  H   UNL     1       3.188  -4.637   0.755  1.00  0.00           H  
HETATM   53  H   UNL     1       1.578  -2.854  -1.103  1.00  0.00           H  
HETATM   54  H   UNL     1       0.921  -5.010   0.999  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.362  -4.947  -1.009  1.00  0.00           H  
HETATM   56  H   UNL     1       1.191  -2.665   2.098  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.374  -4.339   2.258  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.400  -3.629   3.615  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.547  -2.267   2.182  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.291  -1.427   3.191  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.168  -2.159   0.225  1.00  0.00           H  
HETATM   62  H   UNL     1       0.873  -0.574   1.848  1.00  0.00           H  
HETATM   63  H   UNL     1       0.540  -0.475   0.091  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.367   0.789  -0.741  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.112  -0.620   0.059  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.359   1.373   2.552  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.927   2.146   2.270  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.503  -0.864   2.068  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.081  -0.036   3.541  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.950  -0.902   2.111  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.986   0.873   2.289  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.279  -0.717   0.112  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.284   0.479  -3.458  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.386   1.286  -2.128  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.360   2.702  -0.938  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.694   3.289   0.094  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.101   4.987   0.172  1.00  0.00           H  
HETATM   78  H   UNL     1       2.288   4.563  -0.263  1.00  0.00           H  
HETATM   79  H   UNL     1       1.794   0.479   0.872  1.00  0.00           H  
HETATM   80  H   UNL     1       3.513   0.298   0.773  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    3    1   45   46                                       
CONECT    3   39    4    2   47                                       
CONECT    4    3    5   48   49                                       
CONECT    5    4    6   50   51                                       
CONECT    6    7    7    5   52                                       
CONECT    7    8    6    6   53                                       
CONECT    8   10    7    9   54                                       
CONECT    9    8   55                                                 
CONECT   10   13   11    8   56                                       
CONECT   11   12   10   57   58                                       
CONECT   12   13   11   59   60                                       
CONECT   13   14   12   10   61                                       
CONECT   14   15   13   62   63                                       
CONECT   15   16   35   14                                            
CONECT   16   17   15   64   65                                       
CONECT   17   28   27   18   16                                       
CONECT   18   17   19   66   67                                       
CONECT   19   20   18   68   69                                       
CONECT   20   21   19   70   71                                       
CONECT   21   22   22   27   20                                       
CONECT   22   23   21   21   72                                       
CONECT   23   24   25   25   22                                       
CONECT   24   23                                                      
CONECT   25   23   23   26   73                                       
CONECT   26   25   27   27   74                                       
CONECT   27   26   26   21   17                                       
CONECT   28   29   17   75   76                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   31   35                                       
CONECT   31   30   30   32   77                                       
CONECT   32   31   33   33   78                                       
CONECT   33   32   32   34   36                                       
CONECT   34   35   35   33   79                                       
CONECT   35   30   15   34   34                                       
CONECT   36   33   38   37   37                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   80                                            
CONECT   39   38   40   40   41                                       
CONECT   39   41    3                                                 
CONECT   40   39   39                                                 
CONECT   41   39   39                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   22                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   38                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
